From chemistry-request-: at :-www.ccl.net  Sun Jan 10 22:37:13 1999
Received: from smtp.263.net ([202.96.44.19])
        by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id WAA24571
        Sun, 10 Jan 1999 22:37:07 -0500 (EST)
Message-Id: <199901110337.WAA24571*- at -*www.ccl.net>
Received: (fmail 4423 invoked from network); 11 Jan 1999 11:34:17 -0000
Received: from unknown (HELO luoxch) (166.111.11.167)
  by 202.96.44.19 with SMTP; 11 Jan 1999 11:34:17 -0000
Date: Mon, 11 Jan 1999 11:38:3 +0800
From: lvtun <lvtun #at# 263.net>
Reply-To: lvtun # - at - # 263.net
To: ccl discution <chemistry: at :www.ccl.net>
Subject: Cacu metal chelating clusters,use what software
X-mailer: FoxMail 2.1 [cn]
Mime-Version: 1.0
Content-Type: text/plain; charset="us-ascii"
Content-Transfer-Encoding: 7bit


Dear CCLs:

 I want to caculat the energy of thiol-metal chelating
cluster.It include six CH3CH2S and two Zn++ or Cd++
formed two metal chelating cluster,I want to caculate
the change of potential of this structure  with regard
to the distance between sulphur atom to the metal ion
and the distance between the two metal ions,can you
suggest me what kinds of method and what software
is most perfect,a shared software is best.
Thank you.
                    sincerely yours
                    LVTUN
                    Dept.Biosci&Biotech
                    Tsinghua University
                    Beijing,10084
                    P.R.China